@<TRIPOS>MOLECULE
BindingDB_15650
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.7391   32.9641   58.8670  C     
2    C         7.5387   34.2939   60.2254  C     
3    C         8.7797   35.0044   60.1127  C     
4    N         7.5406   33.1022   59.6368  N     
5    C         6.4192   32.1636   59.6801  C     
6    C         7.0123   29.9756   58.3118  C     
7    C         5.9221   30.3523   57.2825  C     
8    C         5.6904   31.8809   57.2046  C     
9    C         5.3344   32.4634   58.5938  C     
10   C         6.7777   30.6374   59.6995  C     
11   O         6.5703   34.8140   60.7602  O     
12   C         9.7442   33.9136   59.5900  C     
13   C        10.5616   33.2937   60.6502  C     
14   O        10.5628   32.0751   60.7744  O     
15   N        11.4171   34.0224   61.3763  N     
16   C        12.3904   33.5661   62.2330  C     
17   C        14.7356   33.7822   62.9360  C     
18   C        13.6343   34.2317   62.1815  C     
19   C        12.2519   32.4674   63.1378  C     
20   C        13.3610   32.0208   63.8904  C     
21   C        14.5991   32.6635   63.7789  C     
22   Br       10.6328   31.6207   63.4898  Br    
23   H         9.1048   31.9396   58.8275  H     
24   H         8.5668   33.2935   57.8330  H     
25   H         8.6770   35.8174   59.3883  H     
26   H         9.0859   35.4200   61.0739  H     
27   H         5.9293   32.3353   60.6415  H     
28   H         7.0309   28.8930   58.4288  H     
29   H         7.9791   30.2709   57.9136  H     
30   H         6.2298   29.9904   56.2973  H     
31   H         4.9825   29.8573   57.5494  H     
32   H         6.5970   32.3689   56.8285  H     
33   H         4.8743   32.0845   56.4967  H     
34   H         4.3760   32.0439   58.9150  H     
35   H         5.1796   33.5429   58.4945  H     
36   H         7.6621   30.4820   60.3288  H     
37   H         5.9489   30.0939   60.1804  H     
38   H        10.4319   34.3399   58.8489  H     
39   H        11.4445   34.9661   61.1521  H     
40   H        15.6406   34.2429   62.8508  H     
41   H        13.7637   35.0364   61.5673  H     
42   H        13.2665   31.2121   64.5193  H     
43   H        15.4076   32.3191   64.3027  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   19   22 1
    24   20   21 2
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   20   42 1
    45   21   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0424
  Crash		| -1.9318
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 1.485